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1alpha,25-dihydroxy-26,27-ethanocholecalciferol

Properties

Image

Occurences in reactions

MNX_ID

MNXM33972

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₉H₄₆O₃

charge

mass

442.3447

reference

chebi:156130

InChIKey

RYXPWQZXOPPLEF-OXZNTLLFSA-N

InChI

InChI=1S/C29H46O3/c1-20(8-6-17-29(32)15-4-5-16-29)25-12-13-26-22(9-7-14-28(25,26)3)10-11-23-18-24(30)19-27(31)21(23)2/h10-11,20,24-27,30-32H,2,4-9,12-19H2,1,3H3/b22-10+,23-11-/t20-,24-,25-,26+,27+,28-/m1/s1

SMILES

C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC2(O)CCCC2)C[C@@H](O)C[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:156130 chebi:156130	1alpha,25-dihydroxy-26,27-ethanocholecalciferol (5Z,7E)-(1S,3R)-26,27-ethano-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol 1alpha,25-dihydroxy-26,27-ethanovitamin D3
lipidmaps:LMST03020408 lipidmapsM:LMST03020408	1alpha,25-dihydroxy-26,27-ethanovitamin D3 / 1alpha,25-dihydroxy-26,27-ethanocholecalciferol (5Z,7E)-(1S,3R)-26,27-ethano-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol